4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide

C10H15N3O3 — CID 70980511

IUPAC4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide
SMILESCC(C)(CCN1C(=O)C=CC1=O)C(=O)NN
InChIInChI=1S/C10H15N3O3/c1-10(2,9(16)12-11)5-6-13-7(14)3-4-8(13)15/h3-4H,5-6,11H2,1-2H3,(H,12,16)
InChIKeyZIFCUDMOQKOJCS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.68
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide

4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide (PubChem CID 70980511) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide
PubChem CID70980511
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide
SMILESCC(C)(CCN1C(=O)C=CC1=O)C(=O)NN
InChIInChI=1S/C10H15N3O3/c1-10(2,9(16)12-11)5-6-13-7(14)3-4-8(13)15/h3-4H,5-6,11H2,1-2H3,(H,12,16)
InChIKeyZIFCUDMOQKOJCS-UHFFFAOYSA-N
XLogP-0.68
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutyl]-2,2,2-trifluoroacetohydrazide
CID 138691851
4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide
CID 53249370
Tert-butyl-[[4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoyl]amino]carbamic acid
CID 70980112
tert-butyl 2-[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,2-dimethylbutanoyl]hydrazinecarboxylate
CID 71004159
4-(2,5-dioxopyrrol-1-yl)-N'-propylbutanehydrazide
CID 91281445
[[4-(2,5-Dioxopyrrol-1-yl)-2,2-dimethylbutanoyl]amino]carbamic acid
CID 141356544
Hydrazinecarbonyl 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoate
CID 153912052
4-(2,5-Dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide;methane
CID 159103514
N'-tert-butyl-4-(2,5-dioxopyrrol-1-yl)butanehydrazide
CID 168747550
4-(2,5-dioxopyrrol-1-yl)-N'-propan-2-ylbutanehydrazide
CID 169871699
4-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanehydrazide hydrochloride
CID 71748351

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide (CID 70980511) is 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide is CC(C)(CCN1C(=O)C=CC1=O)C(=O)NN.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide?
The InChIKey is ZIFCUDMOQKOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,9(16)12-11)5-6-13-7(14)3-4-8(13)15/h3-4H,5-6,11H2,1-2H3,(H,12,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide?
4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide has a molecular weight of 225.25 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanehydrazide is sourced from PubChem (CID 70980511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).